6-(methylthio)-1H-benzimidazole

Base Information

Chemical Name:6-(methylthio)-1H-benzimidazole
CAS No.:121537-61-9
Molecular Formula:C₈H₈N₂S
Molecular Weight:164.231
Hs Code.:
DSSTox Substance ID:DTXSID301303371
Nikkaji Number:J1.117.692E
Mol file:121537-61-9.mol

Synonyms:121537-61-9;6-(methylthio)-1H-benzimidazole;6-methylsulfanyl-1H-benzimidazole;1H-Benzimidazole,5-(methylthio)-(9CI);SCHEMBL1976000;WPZAUVRYUCIFAI-UHFFFAOYSA-N;DTXSID301303371;5-(Methylthio)-1H-benzo[d]imidazole

Suppliers and Price of 6-(methylthio)-1H-benzimidazole

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Alichem
5-Methylthio-1H-benzimidazole
10g
$ 1829.27

Alichem
5-Methylthio-1H-benzimidazole
5g
$ 1440.42

Total 2 raw suppliers

Chemical Property of 6-(methylthio)-1H-benzimidazole

Chemical Property:

PSA：53.98000
LogP:2.28480
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:164.04081944
Heavy Atom Count:11
Complexity:140

Purity/Quality:

98% ^*data from raw suppliers

5-Methylthio-1H-benzimidazole ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CSC1=CC2=C(C=C1)N=CN2

Technology Process of 6-(methylthio)-1H-benzimidazole

There total 4 articles about 6-(methylthio)-1H-benzimidazole which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

: 64-18-6
formic acid

: 67469-02-7
4-methylsulfanylbenzene-1,2-diamine

: 121537-61-9
6-(methylthio)-1H-benzimidazole

Guidance literature:: formic acid; 4-methylsulfanylbenzene-1,2-diamine; With hydrogenchloride; In water; for 1h; Heating / reflux;

With sodium hydrogencarbonate; In methanol; at 20 ℃; for 1h;

Reference yield: 90.0%

: 64-18-6
formic acid

: 31431-10-4
2-amino-4-methylthio-1-nitrobenzene

: 121537-61-9
6-(methylthio)-1H-benzimidazole

Guidance literature:: With iron; ammonium chloride; In isopropyl alcohol; at 80 ℃; for 3h; Inert atmosphere;
DOI:10.1021/jacs.8b05184

Reference yield:

: 1635-61-6
5-chloro-2-nitroaniline

: 121537-61-9
6-(methylthio)-1H-benzimidazole

Guidance literature:: Multi-step reaction with 2 steps

1: N,N-dimethyl-formamide / 20 h / 65 °C / Inert atmosphere

2: ammonium chloride; iron / isopropyl alcohol / 3 h / 80 °C / Inert atmosphere

With iron; ammonium chloride; In N,N-dimethyl-formamide; isopropyl alcohol;
DOI:10.1021/jacs.8b05184